9E-374S
TL;DR: 9E-374S (CAS 338977-72-3) is a chemical compound with molecular formula C15H8F6N2O and molecular weight 346.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-oxo-6-(trifluoromethyl)-1-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carbonitrile
Also Known As: 9E-374S, 2-oxo-6-(trifluoromethyl)-1-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carbonitrile, 2-oxo-6-(trifluoromethyl)-1-[3-(trifluoromethyl)benzyl]-1,2-dihydro-3-pyridinecarbonitrile, 2-oxo-6-(trifluoromethyl)-1-{[3-(trifluoromethyl)phenyl]methyl}-1,2-dihydropyridine-3-carbonitrile
| Molecular Formula | C15H8F6N2O |
|---|---|
| Molecular Weight | 346.05 g/mol |
| LogP | 3.80588 |
| Topological Polar Surface Area | 45.79 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 346.05408 |
| Heavy Atoms | 24 |
| Complexity | 857.97894 |
Chemical Identifiers
| CAS Number | 338977-72-3 |
|---|---|
| SMILES | C1=CC(=CC(=C1)C(F)(F)F)CN2C(=CC=C(C2=O)C#N)C(F)(F)F |
Product Overview
9E-374S (CAS 338977-72-3), with molecular formula C15H8F6N2O and molecular weight 346.05 g/mol. IUPAC: 2-oxo-6-(trifluoromethyl)-1-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carbonitrile.
Chemical Property Profile of 9E-374S
Property Insights of 9E-374S
The XLogP value of 3.80588 indicates that 9E-374S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.79 Ų, 9E-374S exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 9E-374S has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 9E-374S?
The CAS number of 9E-374S is 338977-72-3.
What is the molecular formula of 9E-374S?
The molecular formula of 9E-374S is C15H8F6N2O.
What is the molecular weight of 9E-374S?
The molecular weight of 9E-374S is 346.05 g/mol.
Where can I buy 9E-374S?
You can request a quote for 9E-374S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 9E-374S?
Yes, KEHONG BIO provides custom synthesis services for 9E-374S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.